SCHEMBL24571216

SCHEMBL24571216

Cn1nc(C(F)(F)F)cc1NC(=O)c1ccc2cc(-c3ccncc3)cnc2c1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KCNT1 Q5JUK3 5/20 0.46
▸ PDGFRB P09619 4/20 0.43
▸ PDGFRA P16234 4/20 0.43
▸ HPGDS O60760 1/20 0.41
▸ BRAF P15056 2/20 0.41
▸ STIM1 Q13586 1/20 0.41
▸ ORAI1 Q96D31 1/20 0.41
▸ NTRK1 P04629 6/20 0.40
▸ KCNQ1 P51787 1/20 0.39
▸ KCNH2 Q12809 1/20 0.39
▸ CACNA1C Q13936 1/20 0.39
▸ SCN5A Q14524 1/20 0.39
▸ KCNMB1 Q16558 1/20 0.39
▸ KCNT2 Q6UVM3 1/20 0.39
▸ EGFR P00533 1/20 0.39
▸ MAPK14 Q16539 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL24571213 0.91 NTRK1 (0.47) HPGDSBRAFSTIM1ORAI1NTRK1
SCHEMBL29406420 0.91 NTRK1 (0.47) HPGDSBRAFSTIM1ORAI1NTRK1
SCHEMBL22659336 0.90 HTR2C (0.44) HPGDSBRAFSTIM1ORAI1NTRK1
SCHEMBL22659115 0.90 ESR2 (0.45) KCNT1PDGFRBPDGFRAHPGDSBRAF
SCHEMBL22659083 0.90 HTR2C (0.44) HPGDSBRAFSTIM1ORAI1NTRK1
SCHEMBL22659854 0.90 KCNT1 (0.48) KCNT1PDGFRBPDGFRABRAFNTRK1
SCHEMBL29403796 0.90 KCNT1 (0.48) KCNT1PDGFRBPDGFRABRAFNTRK1
SCHEMBL22659319 0.89 HPGDS (0.42) KCNT1HPGDSBRAFSTIM1ORAI1
SCHEMBL29405919 0.89 HPGDS (0.42) KCNT1HPGDSBRAFSTIM1ORAI1
SCHEMBL22659855 0.89 BRAF (0.42) KCNT1HPGDSBRAFSTIM1ORAI1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220204482-A1 COMPOUNDS AND METHODS FOR TREATING CANCER ANTIDOTE IP HOLDINGS, LLC 2022-06-30 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20220204482-A1 COMPOUNDS AND METHODS FOR TREATING CANCER AHR, ARNT, HMOX1 KCNT1 3974/4885PDGFRB 1283/4885PDGFRA 1422/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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